SCHEMBL9300970

SCHEMBL9300970

CCC(CC(C)=O)C(=O)OCc1cc(N)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.67
TOP2B Q02880 8/20 0.67
POLB P06746 6/20 0.42
RAD52 P43351 5/20 0.42
KMT2A Q03164 4/20 0.42
KDM1A O60341 3/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9300004 0.88 TOP2A (0.70) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL9301426 0.88 TOP2A (0.55) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL8490361 0.85 TOP2A (0.80) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL9299946 0.84 TOP2A (0.72) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL9300980 0.82 TOP2A (0.70) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL9300015 0.82 TOP2A (0.70) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL8489520 0.81 TOP2A (1.00) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL3981533 0.79 TOP2A (0.80) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL9300927 0.78 TOP2A (0.67) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL9300931 0.78 TOP2A (0.67) TOP2ATOP2BPOLBRAD52KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US claimed
US-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US disclosed